Abstract
The asymmetric unit of the title compound, C14H14O6, a monomeric compound of poly(butyl-ene 2,5-furandi-carboxyl-ate), consists of one half-mol-ecule, the whole all-trans mol-ecule being generated by an inversion centre. In the crystal, the mol-ecules are inter-connected via C-H⋯O inter-actions, forming a mol-ecular sheet parallel to (10). The mol-ecular sheets are further linked by C-H⋯π inter-actions.
Highlights
The asymmetric unit of the title compound, C14H14O6, a monomeric compound of poly(butylene 2,5-furandicarboxylate), consists of one half-molecule, the whole all-trans molecule being generated by an inversion centre
The molecules are interconnected via C—HÁ Á ÁO interactions, forming a molecular sheet parallel to (102)
The molecular sheets are further linked by C—HÁ Á Á interactions
Summary
Materials derived from fossil fuels have been attempted to be replaced with plant-based products. It is of significance to determine conformations of polymers in crystal and to relate such structural information to their mechanical properties. It is known that mechanical stresses induce the -totransformation, which will absorb impact and avoid fracture. Owing to such remarkable structural characteristics, PBT has been used for engineering plastics superior in impact resistance. Single crystal X-ray structure analysis of butane-1,4-diyl dibenzoate (BT), a model compound of PBT, showed that its spacer lies in a tgttt conformation different from that of PBT (Palmer et al, 1985). A powder X-ray diffraction study on PBF (Zhu et al, 2013) has estimated dihedral angles of its spacer to be 180 (trans), 66 (+synclinal), 99 (+anticlinal), 124 (+anticlinal) and 148 (+anticlinal) and quite different from those of PBT and BT. Symmetry codes: (i) x; y þ 1; z; (ii) Àx þ 52; y þ 12; Àz þ 12; (iii) Àx þ 2; Ày þ 1; Àz
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